4-(5-azaspiro[2.4]heptan-5-ylmethyl)-N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropylpyridine-2-carboxamide;3-[3-[7-cyclopropyl-5-[(3,3-difluoroazepan-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[7-cyclopropyl-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;bis(2-[3-[3-[5-[[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]acetonitrile)

C161H175F12N31O5 — CID 167599956

About 4-(5-azaspiro[2.4]heptan-5-ylmethyl)-N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropylpyridine-2-carboxamide;3-[3-[7-cyclopropyl-5-[(3,3-difluoroazepan-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[7-cyclopropyl-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;bis(2-[3-[3-[5-[[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]acetonitrile)

4-(5-azaspiro[2.4]heptan-5-ylmethyl)-N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropylpyridine-2-carboxamide;3-[3-[7-cyclopropyl-5-[(3,3-difluoroazepan-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[7-cyclopropyl-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;bis(2-[3-[3-[5-[[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]acetonitrile) (PubChem CID 167599956) has the molecular formula C161H175F12N31O5 and a molecular weight of 2852.36 g/mol. Its IUPAC name is 4-(5-azaspiro[2.4]heptan-5-ylmethyl)-N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropylpyridine-2-carboxamide;3-[3-[7-cyclopropyl-5-[(3,3-difluoroazepan-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[7-cyclopropyl-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;bis(2-[3-[3-[5-[[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]acetonitrile).

Molecular Properties

• Compound Name: 4-(5-azaspiro[2.4]heptan-5-ylmethyl)-N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropylpyridine-2-carboxamide;3-[3-[7-cyclopropyl-5-[(3,3-difluoroazepan-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[7-cyclopropyl-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;bis(2-[3-[3-[5-[[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]acetonitrile)
• PubChem CID: 167599956
• Molecular Formula: C161H175F12N31O5
• Molecular Weight: 2852.36 g/mol
• Exact Mass: 2850.42
• IUPAC Name: 4-(5-azaspiro[2.4]heptan-5-ylmethyl)-N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropylpyridine-2-carboxamide;3-[3-[7-cyclopropyl-5-[(3,3-difluoroazepan-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[7-cyclopropyl-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;bis(2-[3-[3-[5-[[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]acetonitrile)
• SMILES: C[C@@H]1CN(Cc2cc3c(c(C(F)(F)F)c2)CN(c2cccc(C4(Cc5nncn5C)CC(CC#N)C4)c2)C3=O)CCC1(F)F.C[C@@H]1CN(Cc2cc3c(c(C(F)(F)F)c2)CN(c2cccc(C4(Cc5nncn5C)CC(CC#N)C4)c2)C3=O)CCC1(F)F.C[C@H]1CCCN(Cc2cc3c(c(C4CC4)c2)CN(c2cccc(C4(Cc5nncn5C)CC(C#N)C4)c2)C3=O)C1.Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CCCCC(F)(F)C5)cc4C4CC4)C3=O)c2)CC(C#N)C1.Cn1cnnc1CC1(c2cccc(NC(=O)c3cc(CN4CCC5(CC5)C4)cc(C4CC4)n3)c2)CC(C#N)C1
• InChI: InChI=1S/C33H36F2N6O.C33H38N6O.2C32H33F5N6O.C31H35N7O/c1-39-21-37-38-30(39)16-32(14-23(15-32)17-36)25-5-4-6-26(13-25)41-19-29-27(24-7-8-24)11-22(12-28(29)31(41)42)18-40-10-3-2-9-33(34,35)20-40;1-22-5-4-10-38(18-22)19-23-11-28(25-8-9-25)30-20-39(32(40)29(30)12-23)27-7-3-6-26(13-27)33(14-24(15-33)17-34)16-31-36-35-21-37(31)2;2*1-20-16-42(9-7-31(20,33)34)17-22-10-25-26(27(11-22)32(35,36)37)18-43(29(25)44)24-5-3-4-23(12-24)30(13-21(14-30)6-8-38)15-28-40-39-19-41(28)2;1-37-20-33-36-28(37)16-31(14-22(15-31)17-32)24-3-2-4-25(13-24)34-29(39)27-12-21(11-26(35-27)23-5-6-23)18-38-10-9-30(19-38)7-8-30/h4-6,11-13,21,23-24H,2-3,7-10,14-16,18-20H2,1H3;3,6-7,11-13,21-22,24-25H,4-5,8-10,14-16,18-20H2,1-2H3;2*3-5,10-12,19-21H,6-7,9,13-18H2,1-2H3;2-4,11-13,20,22-23H,5-10,14-16,18-19H2,1H3,(H,34,39)/t;22-,24?,33?;2*20-,21?,30?;/m.011./s1
• InChIKey: JOXIXYZXRZWJKB-GULJCDGXSA-N
• XLogP: 28.68
• TPSA: 411.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 31
• Rotatable Bonds: 36
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2852.36
LogP ≤ 5	28.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 4-(5-azaspiro[2.4]heptan-5-ylmethyl)-N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropylpyridine-2-carboxamide;3-[3-[7-cyclopropyl-5-[(3,3-difluoroazepan-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[7-cyclopropyl-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;bis(2-[3-[3-[5-[[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]acetonitrile)?

The IUPAC name of 4-(5-azaspiro[2.4]heptan-5-ylmethyl)-N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropylpyridine-2-carboxamide;3-[3-[7-cyclopropyl-5-[(3,3-difluoroazepan-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[7-cyclopropyl-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;bis(2-[3-[3-[5-[[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]acetonitrile) (CID 167599956) is 4-(5-azaspiro[2.4]heptan-5-ylmethyl)-N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropylpyridine-2-carboxamide;3-[3-[7-cyclopropyl-5-[(3,3-difluoroazepan-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[7-cyclopropyl-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;bis(2-[3-[3-[5-[[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]acetonitrile).

What is the SMILES notation for 4-(5-azaspiro[2.4]heptan-5-ylmethyl)-N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropylpyridine-2-carboxamide;3-[3-[7-cyclopropyl-5-[(3,3-difluoroazepan-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[7-cyclopropyl-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;bis(2-[3-[3-[5-[[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]acetonitrile)?

The canonical SMILES for 4-(5-azaspiro[2.4]heptan-5-ylmethyl)-N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropylpyridine-2-carboxamide;3-[3-[7-cyclopropyl-5-[(3,3-difluoroazepan-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[7-cyclopropyl-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;bis(2-[3-[3-[5-[[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]acetonitrile) is C[C@@H]1CN(Cc2cc3c(c(C(F)(F)F)c2)CN(c2cccc(C4(Cc5nncn5C)CC(CC#N)C4)c2)C3=O)CCC1(F)F.C[C@@H]1CN(Cc2cc3c(c(C(F)(F)F)c2)CN(c2cccc(C4(Cc5nncn5C)CC(CC#N)C4)c2)C3=O)CCC1(F)F.C[C@H]1CCCN(Cc2cc3c(c(C4CC4)c2)CN(c2cccc(C4(Cc5nncn5C)CC(C#N)C4)c2)C3=O)C1.Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CN5CCCCC(F)(F)C5)cc4C4CC4)C3=O)c2)CC(C#N)C1.Cn1cnnc1CC1(c2cccc(NC(=O)c3cc(CN4CCC5(CC5)C4)cc(C4CC4)n3)c2)CC(C#N)C1.

What is the InChIKey of 4-(5-azaspiro[2.4]heptan-5-ylmethyl)-N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropylpyridine-2-carboxamide;3-[3-[7-cyclopropyl-5-[(3,3-difluoroazepan-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[7-cyclopropyl-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;bis(2-[3-[3-[5-[[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]acetonitrile)?

The InChIKey is JOXIXYZXRZWJKB-GULJCDGXSA-N. The full InChI is InChI=1S/C33H36F2N6O.C33H38N6O.2C32H33F5N6O.C31H35N7O/c1-39-21-37-38-30(39)16-32(14-23(15-32)17-36)25-5-4-6-26(13-25)41-19-29-27(24-7-8-24)11-22(12-28(29)31(41)42)18-40-10-3-2-9-33(34,35)20-40;1-22-5-4-10-38(18-22)19-23-11-28(25-8-9-25)30-20-39(32(40)29(30)12-23)27-7-3-6-26(13-27)33(14-24(15-33)17-34)16-31-36-35-21-37(31)2;2*1-20-16-42(9-7-31(20,33)34)17-22-10-25-26(27(11-22)32(35,36)37)18-43(29(25)44)24-5-3-4-23(12-24)30(13-21(14-30)6-8-38)15-28-40-39-19-41(28)2;1-37-20-33-36-28(37)16-31(14-22(15-31)17-32)24-3-2-4-25(13-24)34-29(39)27-12-21(11-26(35-27)23-5-6-23)18-38-10-9-30(19-38)7-8-30/h4-6,11-13,21,23-24H,2-3,7-10,14-16,18-20H2,1H3;3,6-7,11-13,21-22,24-25H,4-5,8-10,14-16,18-20H2,1-2H3;2*3-5,10-12,19-21H,6-7,9,13-18H2,1-2H3;2-4,11-13,20,22-23H,5-10,14-16,18-19H2,1H3,(H,34,39)/t;22-,24?,33?;2*20-,21?,30?;/m.011./s1.

What are the key properties of 4-(5-azaspiro[2.4]heptan-5-ylmethyl)-N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropylpyridine-2-carboxamide;3-[3-[7-cyclopropyl-5-[(3,3-difluoroazepan-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[7-cyclopropyl-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;bis(2-[3-[3-[5-[[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]acetonitrile)?

4-(5-azaspiro[2.4]heptan-5-ylmethyl)-N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropylpyridine-2-carboxamide;3-[3-[7-cyclopropyl-5-[(3,3-difluoroazepan-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[7-cyclopropyl-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;bis(2-[3-[3-[5-[[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]acetonitrile) has a molecular weight of 2852.36 g/mol, XLogP of 28.68, 36 rotatable bonds, 1 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-azaspiro[2.4]heptan-5-ylmethyl)-N-[3-[3-cyano-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-cyclopropylpyridine-2-carboxamide;3-[3-[7-cyclopropyl-5-[(3,3-difluoroazepan-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;3-[3-[7-cyclopropyl-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile;bis(2-[3-[3-[5-[[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]acetonitrile) is sourced from PubChem (CID 167599956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).